1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine

C14H22N2O — CID 113393307

IUPAC1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cccc(NCC2CCC2)c1N
InChIInChI=1S/C14H22N2O/c1-10(2)17-13-8-4-7-12(14(13)15)16-9-11-5-3-6-11/h4,7-8,10-11,16H,3,5-6,9,15H2,1-2H3
InChIKeyXCMNYFLMNJUIJW-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.27
Rot. Bonds5

About 1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine

1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine (PubChem CID 113393307) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine.

Molecular Properties

Compound Name1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
PubChem CID113393307
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
SMILESCC(C)Oc1cccc(NCC2CCC2)c1N
InChIInChI=1S/C14H22N2O/c1-10(2)17-13-8-4-7-12(14(13)15)16-9-11-5-3-6-11/h4,7-8,10-11,16H,3,5-6,9,15H2,1-2H3
InChIKeyXCMNYFLMNJUIJW-UHFFFAOYSA-N
XLogP3.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
CID 104834099
1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 104591312
2-amino-3-(cyclobutylmethylamino)benzonitrile
CID 104716296
3-propan-2-yloxy-1-N-(4-propan-2-yloxybutyl)benzene-1,2-diamine
CID 106007000
N-[(6-methylpiperidin-2-yl)methyl]-2-propan-2-yloxyaniline
CID 54855757
3-chloro-1-N-(cyclohexylmethyl)benzene-1,2-diamine
CID 104834104
2-amino-3-(cyclobutylmethylamino)benzamide
CID 115544780
4-[(2-amino-3-ethoxyanilino)methyl]cyclohexan-1-ol
CID 106120202
[3-[(2-amino-3-propan-2-yloxyanilino)methyl]phenyl]methanol
CID 107231927
[2-[(2-amino-3-methoxyanilino)methyl]cyclopentyl]methanol
CID 113392730
1-N-(oxolan-3-yl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393400
N-[(3-aminocyclohexyl)methyl]-3-propan-2-yloxypyridin-2-amine
CID 106128059

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine?
The IUPAC name of 1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine (CID 113393307) is 1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine.
What is the SMILES notation for 1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine?
The canonical SMILES for 1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine is CC(C)Oc1cccc(NCC2CCC2)c1N.
What is the InChIKey of 1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine?
The InChIKey is XCMNYFLMNJUIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10(2)17-13-8-4-7-12(14(13)15)16-9-11-5-3-6-11/h4,7-8,10-11,16H,3,5-6,9,15H2,1-2H3.
What are the key properties of 1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine?
1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine is sourced from PubChem (CID 113393307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).